N-[1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-naphthalen-2-yl]-4-bromanyl-benzenesulfonamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-naphthalen-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: 4-bromo-N-(1,4-dioxo-3-pyridin-1-ium-1-yl-2-naphthyl)benzenesulfonamide CAS Name: 4-bromo-N-[1,4-dioxo-3-(1-pyridin-1-iumyl)-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-(1,4-dioxo-3-pyridin-1-ium-1-ylnaphthalen-2-yl)benzenesulfonamide Traditional Name: 4-bromo-N-(1,4-diketo-3-pyridin-1-ium-1-yl-2-naphthyl)benzenesulfonamide Formula: C21H14BrN2O4S+ MolecularWeight: 470.31586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrN2O4S/c22-14-8-10-15(11-9-14)29(27,28)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h1-13H/p+1